3-Oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid

Base Information

• Chemical Name: 3-Oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid
• CAS No.: 70685-30-2
• Molecular Formula: C9H7NO3S
• Molecular Weight: 209.225
• DSSTox Substance ID: DTXSID90500766

Synonyms:70685-30-2;3-Oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid;2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-3-oxo-;DTXSID90500766;AKOS021982987

Chemical Property of 3-Oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylic acid

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 209.01466426
• Heavy Atom Count: 14
• Complexity: 269

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=O)C(S2)C(=O)O

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